In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 17 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.59 | 5.27 | -43.4 | 2 | 4 | 0 | 66 | 293.12 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 3.91 | -6.56 | 2 | 4 | 0 | 62 | 293.12 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 4.78 | -48.08 | 1 | 4 | -1 | 65 | 292.112 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.59 | 4.33 | -44.54 | 3 | 4 | 1 | 63 | 294.128 | 2 | ↓ |